| dc.contributor.author | González, Rafael I. [Univ Mayor, Fac Ciencias, Ctr Nanotecnol Aplicada, Santiago, Chile] | es_CL |
| dc.contributor.author | Valencia, Felipe J. [Univ Mayor, Fac Ciencias, DAiTA Lab, Santiago, Chile] | es_CL |
| dc.contributor.author | Ramírez, Max | es_CL |
| dc.contributor.author | Baltazar, Samuel E. | es_CL |
| dc.contributor.author | Rojas-Nunez, Javier | es_CL |
| dc.contributor.author | Allende, Sebastián | es_CL |
| dc.contributor.author | Alejandro Valdivia, Juan | es_CL |
| dc.contributor.author | Rogan, Jose | es_CL |
| dc.contributor.author | Kiwi, Miguel | es_CL |
| dc.date.accessioned | 2020-04-12T14:11:55Z | |
| dc.date.accessioned | 2020-04-14T15:38:01Z | |
| dc.date.available | 2020-04-12T14:11:55Z | |
| dc.date.available | 2020-04-14T15:38:01Z | |
| dc.date.issued | 2019 | es_CL |
| dc.identifier.citation | Ramírez, M., González, R. I., Baltazar, S. E., Rojas-Nunez, J., Allende, S., Valdivia, J. A., ... & Valencia, F. J. (2019). Thermal stability of aluminum oxide nanoparticles: role of oxygen concentration. Inorganic Chemistry Frontiers, 6(7), 1701-1706. | es_CL |
| dc.identifier.issn | 2052-1553 | es_CL |
| dc.identifier.uri | https://doi.org/10.1039/c8qi01398e | es_CL |
| dc.identifier.uri | http://repositorio.umayor.cl/xmlui/handle/sibum/6628 | |
| dc.description.abstract | Oxygen absorption and the thermal stability of Al-147 nanoparticles were studied by means of classical molecular dynamics simulations and Monte Carlo methods. The results suggest that for the studied sizes, oxygen incorporation yields an Al2O3 nanoparticle with a Janus-like morphology, contrary to the expected core-shell nanostructure observed in simulations and experiments of nanometer-size nanoparticles. A simulated annealing, introduced to support this assumption, shows that the Janus-like morphology has a lower energy than that of Al@Al2O3 with a core@shell conformation. Also, the thermal behavior of a Janus-like Al/Al2O3 nanoparticle as a function of oxygen concentration was investigated. It is observed that the partial oxidation reduces the nanoparticle melting temperature because the number of pure aluminum atoms is reduced. In fact, the melting point can be as low as 400 K for an Al147O30 nanoparticle. The melting process leads to a solid alumina region that coexists with liquid-like aluminum nanoparticles. The oxide never adopts a protective shell covering configuration of the aluminum nanoparticle. | es_CL |
| dc.description.sponsorship | Fondo Nacional de Investigaciones Cientificas y Tecnologicas (FONDECYT, Chile)Comision Nacional de Investigacion Cientifica y Tecnologica (CONICYT)CONICYT FONDECYT [1160639, 1190662, 11180557, 1161018]; AFOSR GrantUnited States Department of DefenseAir Force Office of Scientific Research (AFOSR) [FA9550-16-1-0122]; Financiamiento Basal para Centros Cientificos y Tecnologicos de ExcelenciaComision Nacional de Investigacion Cientifica y Tecnologica (CONICYT)CONICYT PIA/BASAL [FB-0807]; CONICYT-PCHA Doctorado Nacional [2015-21150699]; NLHPC [ECM-02]; DICYT [041931BR] | es_CL |
| dc.description.sponsorship | This work was supported by the Fondo Nacional de Investigaciones Cientificas y Tecnologicas (FONDECYT, Chile) under grants #1160639 (MK and JR), #1190662 (JR, MR, FV), #11180557 (RG), #1161018 (SA), AFOSR Grant FA9550-16-1-0122 (JR, MK and JAV), and the Financiamiento Basal para Centros Cientificos y Tecnologicos de Excelencia FB-0807 (RG, SB, SA, JRN, FV, MK, JR, and JAV). JRN acknowledges the support of the scholarship grant CONICYT-PCHA Doctorado Nacional 2015-21150699. Powered@NLHPC: This research was partially supported by the supercomputing infrastructure of the NLHPC (ECM-02). The authors thank the Proyecto Interlineas CEDENNA 2018. SB thank DICYT project 041931BR. | es_CL |
| dc.language.iso | en | es_CL |
| dc.publisher | ROYAL SOC CHEMISTRY | es_CL |
| dc.rights | Attribution-NonCommercial-NoDerivs 3.0 Chile | |
| dc.source | Inorg. Chem. Front., JUL, 2019. 6(7): p. 1701-1706 | |
| dc.subject | Chemistry, Inorganic & Nuclear | es_CL |
| dc.title | Thermal stability of aluminum oxide nanoparticles: role of oxygen concentration | es_CL |
| dc.type | Artículo | es_CL |
| umayor.facultad | CIENCIAS | |
| umayor.politicas.sherpa/romeo | This is a RoMEO ungraded journal (Las políticas de este editor no han sido verificadas por RoMEO). Disponible en: http://sherpa.ac.uk/romeo/index.php | es_CL |
| umayor.indexado | WOS:000475394700008 | es_CL |
| umayor.indexado | SIN PMID | es_CL |
| dc.identifier.doi | DOI: 10.1039/c8qi01398e | es_CL] |
| umayor.indicadores.wos-(cuartil) | Q1 | es_CL |
| umayor.indicadores.scopus-(scimago-sjr) | SCIMAGO/ INDICE H: 35 H | es_CL |